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4-[1-[3-(1-adamantyl)-4-nonoxy-phenyl]ethyl]benzoic acid

4-[1-[3-(1-adamantyl)-4-nonoxy-phenyl]ethyl]benzoic acid

Systemtic Name:4-[1-[3-(1-adamantyl)-4-nonoxy-phenyl]ethyl]benzoic acid
Openeye Name:4-[1-[3-(1-adamantyl)-4-nonoxy-phenyl]ethyl]benzoic acid
CAS Name:4-[1-[3-(1-adamantyl)-4-nonoxyphenyl]ethyl]benzoic acid
IUPAC Name:4-[1-[3-(1-adamantyl)-4-nonoxyphenyl]ethyl]benzoic acid
Traditional Name:4-[1-[3-(1-adamantyl)-4-nonoxy-phenyl]ethyl]benzoic acid
Formula: C34H46O3
MolecularWeight: 502.72724
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(C)C2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(C)C2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4


InChI

InChI=1S/C34H46O3/c1-3-4-5-6-7-8-9-16-37-32-15-14-30(24(2)28-10-12-29(13-11-28)33(35)36)20-31(32)34-21-25-17-26(22-34)19-27(18-25)23-34/h10-15,20,24-27H,3-9,16-19,21-23H2,1-2H3,(H,35,36)


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